Information card for entry 7008810

Structure parameters

• Formula: C33 H39 Cu F6 N3 P
• Calculated formula: C33 H39 Cu F6 N3 P
• SMILES: [Cu]1[n]2c(CCc3c(c(c(c(c3CC)CCc3[n]1cccc3)CC)CCc1ncccc1)CC)cccc2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structure and photoluminescence property of two-dimensional coordination polymer complexes involving Cu(I)(6)X(6)(X = Cl, Br, I) hexagon prism cluster supported by a tripodal tripyridine ligand with 1,3,5-triethylbenzene spacer.
• Authors of publication: Ohi, Hiromi; Tachi, Yoshimitsu; Kunimoto, Takashi; Itoh, Shinobu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 19
• Pages of publication: 3146 - 3147
• a: 10.027 ± 0.004 Å
• b: 10.254 ± 0.003 Å
• c: 16.081 ± 0.006 Å
• α: 82.509 ± 0.014°
• β: 77.487 ± 0.019°
• γ: 82.478 ± 0.017°
• Cell volume: 1591.3 ± 1 ų
• Cell temperature: 160.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No